4-hydrazinyl-N-methyl-N-(1-methylsulfanylpropan-2-yl)-3-nitrobenzamide

C12H18N4O3S — CID 115987377

IUPAC4-hydrazinyl-N-methyl-N-(1-methylsulfanylpropan-2-yl)-3-nitrobenzamide
SMILESCSCC(C)N(C)C(=O)c1ccc(NN)c([N+](=O)[O-])c1
InChIInChI=1S/C12H18N4O3S/c1-8(7-20-3)15(2)12(17)9-4-5-10(14-13)11(6-9)16(18)19/h4-6,8,14H,7,13H2,1-3H3
InChIKeyXVVVQZHPYBSTIV-UHFFFAOYSA-N
MW298.37 g/mol
LogP1.70
Rot. Bonds6

About 4-hydrazinyl-N-methyl-N-(1-methylsulfanylpropan-2-yl)-3-nitrobenzamide

4-hydrazinyl-N-methyl-N-(1-methylsulfanylpropan-2-yl)-3-nitrobenzamide (PubChem CID 115987377) has the molecular formula C12H18N4O3S and a molecular weight of 298.37 g/mol. Its IUPAC name is 4-hydrazinyl-N-methyl-N-(1-methylsulfanylpropan-2-yl)-3-nitrobenzamide.

Molecular Properties

Compound Name4-hydrazinyl-N-methyl-N-(1-methylsulfanylpropan-2-yl)-3-nitrobenzamide
PubChem CID115987377
Molecular FormulaC12H18N4O3S
Molecular Weight298.37 g/mol
Exact Mass298.11
IUPAC Name4-hydrazinyl-N-methyl-N-(1-methylsulfanylpropan-2-yl)-3-nitrobenzamide
SMILESCSCC(C)N(C)C(=O)c1ccc(NN)c([N+](=O)[O-])c1
InChIInChI=1S/C12H18N4O3S/c1-8(7-20-3)15(2)12(17)9-4-5-10(14-13)11(6-9)16(18)19/h4-6,8,14H,7,13H2,1-3H3
InChIKeyXVVVQZHPYBSTIV-UHFFFAOYSA-N
XLogP1.70
TPSA101.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-hydrazinyl-N-methyl-N-(1-methylsulfanylpropan-2-yl)-3-nitrobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-4-(methylamino)-N-(4-methylsulfanylbutan-2-yl)-3-nitrobenzamide
CID 115637136
N-(1-cyclopropylethyl)-4-hydrazinyl-N-methyl-3-nitrobenzamide
CID 62242335
4-hydrazinyl-N-methyl-3-nitro-N-pentylbenzamide
CID 62241366
N-ethyl-4-hydrazinyl-N-(2-hydroxyethyl)-3-nitrobenzamide
CID 62236416
N-[1-(dimethylamino)propan-2-yl]-4-hydrazinyl-3-nitrobenzamide
CID 82949433
4-(ethylamino)-N-(1-methoxypropan-2-yl)-N-methyl-3-nitrobenzamide
CID 60793718
4-hydrazinyl-N-[2-[methyl(propan-2-yl)amino]ethyl]-3-nitrobenzamide
CID 62640596
4-amino-N-methyl-N-(4-methylpentan-2-yl)-3-nitrobenzamide
CID 46402417
4-hydrazinyl-3-nitro-N-propylbenzamide
CID 62237139
1-(4-hydrazinyl-3-nitrophenyl)ethanone
CID 54491853
4-hydrazinyl-N-methyl-N-(2-methylsulfonylethyl)-3-nitrobenzamide
CID 79845633
4-chloro-N-methyl-N-(4-methylsulfanylbutan-2-yl)-3-nitrobenzamide
CID 115636279

Frequently Asked Questions

What is the IUPAC name of 4-hydrazinyl-N-methyl-N-(1-methylsulfanylpropan-2-yl)-3-nitrobenzamide?
The IUPAC name of 4-hydrazinyl-N-methyl-N-(1-methylsulfanylpropan-2-yl)-3-nitrobenzamide (CID 115987377) is 4-hydrazinyl-N-methyl-N-(1-methylsulfanylpropan-2-yl)-3-nitrobenzamide.
What is the SMILES notation for 4-hydrazinyl-N-methyl-N-(1-methylsulfanylpropan-2-yl)-3-nitrobenzamide?
The canonical SMILES for 4-hydrazinyl-N-methyl-N-(1-methylsulfanylpropan-2-yl)-3-nitrobenzamide is CSCC(C)N(C)C(=O)c1ccc(NN)c([N+](=O)[O-])c1.
What is the InChIKey of 4-hydrazinyl-N-methyl-N-(1-methylsulfanylpropan-2-yl)-3-nitrobenzamide?
The InChIKey is XVVVQZHPYBSTIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3S/c1-8(7-20-3)15(2)12(17)9-4-5-10(14-13)11(6-9)16(18)19/h4-6,8,14H,7,13H2,1-3H3.
What are the key properties of 4-hydrazinyl-N-methyl-N-(1-methylsulfanylpropan-2-yl)-3-nitrobenzamide?
4-hydrazinyl-N-methyl-N-(1-methylsulfanylpropan-2-yl)-3-nitrobenzamide has a molecular weight of 298.37 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-N-methyl-N-(1-methylsulfanylpropan-2-yl)-3-nitrobenzamide is sourced from PubChem (CID 115987377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).